SEQ2FUN

BioLiP

PDB CCD ID: LZL
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N5
InChI: InChI=1S/C17H15N5/c18-17-19-11-13-10-14(12-6-2-1-3-7-12)16(20-15(13)21-17)22-8-4-5-9-22/h1-7,10-11H,8-9H2,(H2,18,19,20,21)
InChIKey: QFWNOFXQNCLFBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N
ACDLabs 10.04n3c2nc(c(c1ccccc1)cc2cnc3N)N4CC=CC4
CACTVS 3.341Nc1ncc2cc(c3ccccc3)c(nc2n1)N4CC=CC4
Name:7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
DrugBank: DB08146
ZINC: ZINC000100036409
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).